- InChI
- InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
- InChI Key
- YMEZKRMAPQIBQH-UHFFFAOYSA-N
- Formula
- C5H5NO2
- SMILES
- [O-][n+]1cccc(O)c1
- Molecular Weight1
- 111.10
- CAS
- 6602-28-4
- Other Names
-
- 3-Hydroxypyridine-N-oxide
- 3-Hydroxypyridine 1-oxide
- 3-Pyridinol N-oxide
- Pyridinium,1,3-dihydroxy-,1-hydroxide,inner salt
- pyridin-3-ol 1-oxide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5005 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -29.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 121.80 ± 4.40 | kJ/mol | NIST |
| ΔvapH° | 76.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 ± 0.05 | eV | NIST |
| log10WS | 0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.026 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Pc | 5928.88 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 523.84 | K | Relay (1.0) Calculated Property |
| Tc | 746.95 | K | Relay (1.0) Calculated Property |
| Tfus | 435.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.246 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pyridinol-1-oxide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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